Effect of strain on the thermoelectric properties of silicon: An ab initio study

Details Effect of strain on the thermoelectric properties of silicon: An ab initio study Effect of strain on the thermoelectric properties of silicon: An ab initio study

2011-03-10

arxiv.org/abs/1103.2120v2

J. Phys.: Condens. Matter 23 (2011) 295502

Physics

Condensed Matter

Materials Science

Scientific paper

10.1088/0953-8984/23/29/295502

On the basis of detailed first-principles calculations the anisotropic thermoelectric transport properties of biaxially strained silicon were studied with focus on a possible enhancement of the powerfactor. Electron as well as hole doping were examined in a broad doping and temperature range. In the low-temperature and low-doping regime an enhancement of the powerfactor was obtained for compressive and tensile strain in the electron-doped case and for compressive strain in the hole-doped case. In the thermoelectrically more important high-temperature and high- doping regime a slight enhancement of the powerfactor was only found for the hole-doped case under small biaxial tensile strain. The results are discussed in terms of band-structure effects. An analytical model is presented to understand the fact that the thermopower decreases if degenerate bands are energetically lifted due to a strain- induced redistribution of states.

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